N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide

C28H36N6O4 — CID 59703435

IUPACN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C28H36N6O4/c1-19-16-37-12-10-33(19)27-23-8-9-24(22-7-5-6-21(14-22)15-32(3)25(35)18-36-4)29-26(23)30-28(31-27)34-11-13-38-17-20(34)2/h5-9,14,19-20H,10-13,15-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyGQYFBVAPEBAFPM-PMACEKPBSA-N
MW520.63 g/mol
LogP2.75
Rot. Bonds7

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide (PubChem CID 59703435) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide
PubChem CID59703435
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC NameN-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C28H36N6O4/c1-19-16-37-12-10-33(19)27-23-8-9-24(22-7-5-6-21(14-22)15-32(3)25(35)18-36-4)29-26(23)30-28(31-27)34-11-13-38-17-20(34)2/h5-9,14,19-20H,10-13,15-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyGQYFBVAPEBAFPM-PMACEKPBSA-N
XLogP2.75
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide (CID 59703435) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide?
The InChIKey is GQYFBVAPEBAFPM-PMACEKPBSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-19-16-37-12-10-33(19)27-23-8-9-24(22-7-5-6-21(14-22)15-32(3)25(35)18-36-4)29-26(23)30-28(31-27)34-11-13-38-17-20(34)2/h5-9,14,19-20H,10-13,15-18H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide?
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide has a molecular weight of 520.63 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 59703435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).